(1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane

C15H26 — CID 163059581

IUPAC(1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane
SMILESCC(C)[C@@H]1CC[C@H](C)[C@@]23CC[C@@H](C)[C@@H]2[C@@H]13
InChIInChI=1S/C15H26/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9-14H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15+/m1/s1
InChIKeyOLQIEHMOJCVFRY-FSKVPOERSA-N
MW206.37 g/mol
LogP4.35
Rot. Bonds1

About (1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane

(1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane (PubChem CID 163059581) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane.

Molecular Properties

Compound Name(1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane
PubChem CID163059581
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane
SMILESCC(C)[C@@H]1CC[C@H](C)[C@@]23CC[C@@H](C)[C@@H]2[C@@H]13
InChIInChI=1S/C15H26/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9-14H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15+/m1/s1
InChIKeyOLQIEHMOJCVFRY-FSKVPOERSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane?
The IUPAC name of (1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane (CID 163059581) is (1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane.
What is the SMILES notation for (1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane?
The canonical SMILES for (1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane is CC(C)[C@@H]1CC[C@H](C)[C@@]23CC[C@@H](C)[C@@H]2[C@@H]13.
What is the InChIKey of (1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane?
The InChIKey is OLQIEHMOJCVFRY-FSKVPOERSA-N. The full InChI is InChI=1S/C15H26/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9-14H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15+/m1/s1.
What are the key properties of (1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane?
(1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane has a molecular weight of 206.37 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decane is sourced from PubChem (CID 163059581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).